[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C20H19N3O3/c1-3-15-4-6-16(7-5-15)19(24)14(2)26-20(25)17-8-10-18(11-9-17)23-13-21-12-22-23/h4-14H,3H2,1-2H3/t14-/m0/s1